Structure of PDB 8qyr Chain B Binding Site BS02

Receptor Information
>8qyr Chain B (length=711) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKDVFVPDDKEEFVKATILSREGGKVTAETEHGKTVTVKEDQVLQQNPPK
FDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGLFCVTINPYKWLPV
YNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGESGAG
KTVNTKRVIQYFAVIAAIGGKGTLEDQIIQANPALEAFGNAKTVRNDNSS
RFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSN
KKPELLDMLLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFT
TEEKNSMYKLTGAIMHFGNMKFKLKEQAEPDGTEEADKSAYLMGLNSADL
LKGLCHPRVKVGNEYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTRINA
TLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHHMFV
LEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPKATD
MTFKAKLFDNHLGKSSNFQKPRKPEAHFSLIHYAGTVDYNIIGWLQKNKD
PLNETVVDLYKKSSLKMLSSLFANYAFQTVSALHRENLNKLMTNLRSTHP
HFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGD
FRQRYRILNPAAIPDIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLL
GLLEEMRDERL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8qyr Chain B Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8qyr Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T185 S242
Binding residue
(residue number reindexed from 1)		T152 S200
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:8qyr, PDBe:8qyr, PDBj:8qyr
PDBsum8qyr
PubMed38014327
UniProtQ9BE39|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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